Continuously controlled optical band gap in oxide semiconductor thin films

Herklotz, Andreas; Rus, Stefania Florina; Ward, Thomas Zac

doi:10.1021/acs.nanolett.5b04815

Title: Continuously controlled optical band gap in oxide semiconductor thin films

Journal Article · Tue Feb 02 00:00:00 EST 2016 · Nano Letters

DOI:https://doi.org/10.1021/acs.nanolett.5b04815· OSTI ID:1245355

Herklotz, Andreas ^[1]; Rus, Stefania Florina ^[2]; Ward, Thomas Zac ^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Photovoltaics, National Institute for Research and Development in Electrochemistry and Condensed Matter, Timisoara (Romania)

The optical band gap of the prototypical semiconducting oxide SnO₂is shown to be continuously controlled through single axis lattice expansion of nanometric films induced by low-energy helium implantation. While traditional epitaxy-induced strain results in Poisson driven multidirectional lattice changes shown to only allow discrete increases in bandgap, we find that a downward shift in the band gap can be linearly dictated as a function of out-of-plane lattice expansion. Our experimental observations closely match density functional theory that demonstrates that uniaxial strain provides a fundamentally different effect on the band structure than traditional epitaxy-induced multiaxes strain effects. In conclusion, charge density calculations further support these findings and provide evidence that uniaxial strain can be used to drive orbital hybridization inaccessible with traditional strain engineering techniques.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1245355

Journal Information:: Nano Letters, Vol. 16, Issue 3; ISSN 1530-6984

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 34 works

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Controllable defect driven symmetry change and domain structure evolution in BiFeO ₃ with enhanced tetragonality Chen, Chao; Wang, Changan; Cai, Xiangbin Nanoscale, Vol. 11, Issue 17 https://doi.org/10.1039/c9nr00932a	journal	January 2019
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Optical response of $BiFe O_{3}$ films subjected to uniaxial strain Herklotz, Andreas; Rus, Stefania F.; Sohn, Changhee Physical Review Materials, Vol. 3, Issue 9 https://doi.org/10.1103/physrevmaterials.3.094410	journal	September 2019
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Band Gap Tuning of Solution-Processed Ferroelectric Perovskite BiFe_1–xCo_xO₃ Thin Films Machado, Pamela; Scigaj, Mateusz; Gazquez, Jaume Chemistry of Materials, Vol. 31, Issue 3 https://doi.org/10.1021/acs.chemmater.8b04380	journal	January 2019
Tailoring the electronic and magnetic properties of monolayer SnO by B, C, N, O and F adatoms Tao, Junguang; Guan, Lixiu Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/srep44568	journal	March 2017

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